V031-0467 Screening compound: N,N,4-triethyl-2-(2-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V031-0467 Screening compound: N,N,4-triethyl-2-(2-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V031-0467 Screening compound: N,N,4-triethyl-2-(2-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-0467
N,N,4-triethyl-2-(2-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V031-0467

Molecular Formula

C16H19FN4O3 (C16 H19 FN4 O3)

Compound Name

N,N,4-triethyl-2-(2-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

IUPAC name

NN4-triethyl-2-(2-fluorophenyl)-35-dioxo-2345-tetrahydro-124-triazine-6-carboxamide

SMILES

CCN(CC)C(C(C(N1CC)=O)=NN(c(cccc2)c2F)C1=O)=O

InChI

InChI=1S/C16H19FN4O3/c1-4-19(5-2)14(22)13-15(23)20(6-3)16(24)21(18-13)12-10-8-7-9-11(12)17/h7-10H,4-6H2,1-3H3

InChI Key

FPCPTPFCHIMFGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10452908

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

334.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.622

Distribution Coefficient, logD

1.622

Water Solubility, LogSw

-1.93

Polar Surface Area

57.872

Acid Dissociation Constant (pKa)

29.30

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

V031-0467 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V031-0467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-0467?
Check Price and Availability of V031-0467, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V031-0467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-0467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-0467
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V031-0467 available by request